CS-0547615
4-(2-Hydroxyethyl)-1-((4-iodophenyl)sulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
Manufacturer: ChemScene
CAS Number: 866039-54-5
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₅IN₂O₄S
Molecular Weight
422.24
Synonyms
None
SMILES
CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)I)C)CCO
Tpsa
81.3
Logp
0.87162
H Acceptors
6
H Donors
1
Rotatable Bonds
4
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₅IN₂O₄S
Molecular Weight: 422.24
Synonyms: None
SMILES: CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)I)C)CCO
Tpsa: 81.3
Logp: 0.87162
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₅IN₂O₄S
Molecular Weight:
422.24
Synonyms:
None
SMILES:
CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)I)C)CCO
Tpsa:
81.3
Logp:
0.87162
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₂ClF₂N
Molecular Weight: 303.73
Synonyms: (1E)-1-(1-chloro-3,4-dihydronaphthalen-2-yl)-N-(2,4-difluorophenyl)methanimine
SMILES: C1CC(=C(C2=CC=CC=C21)Cl)C=NC3=C(C=C(C=C3)F)F
Tpsa: 12.36
Logp: 5.2634
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₂ClF₂N
Molecular Weight:
303.73
Synonyms:
(1E)-1-(1-chloro-3,4-dihydronaphthalen-2-yl)-N-(2,4-difluorophenyl)methanimine
SMILES:
C1CC(=C(C2=CC=CC=C21)Cl)C=NC3=C(C=C(C=C3)F)F
Tpsa:
12.36
Logp:
5.2634
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₁FN₄O
Molecular Weight: 258.25
Synonyms: 5-(3-FLUORO-4-METHOXYPHENYL)-6-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
SMILES: CC1=CN2C(=NC=N2)N=C1C3=CC(=C(C=C3)OC)F
Tpsa: 52.31
Logp: 2.24742
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁FN₄O
Molecular Weight:
258.25
Synonyms:
5-(3-FLUORO-4-METHOXYPHENYL)-6-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
SMILES:
CC1=CN2C(=NC=N2)N=C1C3=CC(=C(C=C3)OC)F
Tpsa:
52.31
Logp:
2.24742
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃N₃O₂
Molecular Weight: 219.24
Synonyms: None
SMILES: CC1=NN(C(=O)N1C2=CC=C(C=C2)OC)C
Tpsa: 49.05
Logp: 0.88802
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃N₃O₂
Molecular Weight:
219.24
Synonyms:
None
SMILES:
CC1=NN(C(=O)N1C2=CC=C(C=C2)OC)C
Tpsa:
49.05
Logp:
0.88802
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2